2-(1,1-difluoroethyl)-6-ethyl-2,3-dihydro-1H-indole

C12H15F2N — CID 84678421

IUPAC2-(1,1-difluoroethyl)-6-ethyl-2,3-dihydro-1H-indole
SMILESCCc1ccc2c(c1)NC(C(C)(F)F)C2
InChIInChI=1S/C12H15F2N/c1-3-8-4-5-9-7-11(12(2,13)14)15-10(9)6-8/h4-6,11,15H,3,7H2,1-2H3
InChIKeyKIIOEDOIVUGROQ-UHFFFAOYSA-N
MW211.25 g/mol
LogP3.24
Rot. Bonds2

About 2-(1,1-difluoroethyl)-6-ethyl-2,3-dihydro-1H-indole

2-(1,1-difluoroethyl)-6-ethyl-2,3-dihydro-1H-indole (PubChem CID 84678421) has the molecular formula C12H15F2N and a molecular weight of 211.25 g/mol. Its IUPAC name is 2-(1,1-difluoroethyl)-6-ethyl-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name2-(1,1-difluoroethyl)-6-ethyl-2,3-dihydro-1H-indole
PubChem CID84678421
Molecular FormulaC12H15F2N
Molecular Weight211.25 g/mol
Exact Mass211.12
IUPAC Name2-(1,1-difluoroethyl)-6-ethyl-2,3-dihydro-1H-indole
SMILESCCc1ccc2c(c1)NC(C(C)(F)F)C2
InChIInChI=1S/C12H15F2N/c1-3-8-4-5-9-7-11(12(2,13)14)15-10(9)6-8/h4-6,11,15H,3,7H2,1-2H3
InChIKeyKIIOEDOIVUGROQ-UHFFFAOYSA-N
XLogP3.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.25
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-difluoroethyl)-6-ethyl-2,3-dihydro-1H-indole?
The IUPAC name of 2-(1,1-difluoroethyl)-6-ethyl-2,3-dihydro-1H-indole (CID 84678421) is 2-(1,1-difluoroethyl)-6-ethyl-2,3-dihydro-1H-indole.
What is the SMILES notation for 2-(1,1-difluoroethyl)-6-ethyl-2,3-dihydro-1H-indole?
The canonical SMILES for 2-(1,1-difluoroethyl)-6-ethyl-2,3-dihydro-1H-indole is CCc1ccc2c(c1)NC(C(C)(F)F)C2.
What is the InChIKey of 2-(1,1-difluoroethyl)-6-ethyl-2,3-dihydro-1H-indole?
The InChIKey is KIIOEDOIVUGROQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2N/c1-3-8-4-5-9-7-11(12(2,13)14)15-10(9)6-8/h4-6,11,15H,3,7H2,1-2H3.
What are the key properties of 2-(1,1-difluoroethyl)-6-ethyl-2,3-dihydro-1H-indole?
2-(1,1-difluoroethyl)-6-ethyl-2,3-dihydro-1H-indole has a molecular weight of 211.25 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-difluoroethyl)-6-ethyl-2,3-dihydro-1H-indole is sourced from PubChem (CID 84678421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).